6-(3-aminopyrrolidin-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide

C16H21N5OS — CID 56744781

IUPAC6-(3-aminopyrrolidin-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCCc1csc(CNC(=O)c2ccc(N3CCC(N)C3)nc2)n1
InChIInChI=1S/C16H21N5OS/c1-2-13-10-23-15(20-13)8-19-16(22)11-3-4-14(18-7-11)21-6-5-12(17)9-21/h3-4,7,10,12H,2,5-6,8-9,17H2,1H3,(H,19,22)
InChIKeySOLSDBKGXRIJKW-UHFFFAOYSA-N
MW331.45 g/mol
LogP1.57
Rot. Bonds5

About 6-(3-aminopyrrolidin-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide

6-(3-aminopyrrolidin-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 56744781) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is 6-(3-aminopyrrolidin-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-aminopyrrolidin-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide
PubChem CID56744781
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name6-(3-aminopyrrolidin-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCCc1csc(CNC(=O)c2ccc(N3CCC(N)C3)nc2)n1
InChIInChI=1S/C16H21N5OS/c1-2-13-10-23-15(20-13)8-19-16(22)11-3-4-14(18-7-11)21-6-5-12(17)9-21/h3-4,7,10,12H,2,5-6,8-9,17H2,1H3,(H,19,22)
InChIKeySOLSDBKGXRIJKW-UHFFFAOYSA-N
XLogP1.57
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 56741406
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(3-hydroxypiperidin-1-yl)pyridine-3-carboxamide
CID 45209965
6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide
CID 56760582
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 95230442
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carboxamide
CID 45244073
N-(2-amino-2-ethylbutyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119641202
6-(4-benzylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 1448003
tert-butyl N-[2-[[6-[(3S)-3-aminopyrrolidin-1-yl]pyridine-3-carbonyl]amino]phenyl]carbamate
CID 59806014
N-[[6-(3-aminopyrrolidin-1-yl)-2-pyridinyl]methyl]-2-cyclopropyl-1H-imidazole-5-carboxamide
CID 138031965
N-[[4-[[3-(methylamino)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 119918242
N-ethyl-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95105098
methyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate
CID 78984051

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopyrrolidin-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-aminopyrrolidin-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide (CID 56744781) is 6-(3-aminopyrrolidin-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-aminopyrrolidin-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-aminopyrrolidin-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide is CCc1csc(CNC(=O)c2ccc(N3CCC(N)C3)nc2)n1.
What is the InChIKey of 6-(3-aminopyrrolidin-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is SOLSDBKGXRIJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-2-13-10-23-15(20-13)8-19-16(22)11-3-4-14(18-7-11)21-6-5-12(17)9-21/h3-4,7,10,12H,2,5-6,8-9,17H2,1H3,(H,19,22).
What are the key properties of 6-(3-aminopyrrolidin-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide?
6-(3-aminopyrrolidin-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 331.45 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopyrrolidin-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 56744781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).